1-(2,4-difluoro-5-methoxyphenyl)ethanone

C9H8F2O2 — CID 117280345

IUPAC1-(2,4-difluoro-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)c(F)cc1F
InChIInChI=1S/C9H8F2O2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,1-2H3
InChIKeyJBSGMQGUOCYPQX-UHFFFAOYSA-N
MW186.16 g/mol
LogP2.18
Rot. Bonds2

About 1-(2,4-difluoro-5-methoxyphenyl)ethanone

1-(2,4-difluoro-5-methoxyphenyl)ethanone (PubChem CID 117280345) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is 1-(2,4-difluoro-5-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2,4-difluoro-5-methoxyphenyl)ethanone
PubChem CID117280345
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name1-(2,4-difluoro-5-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)c(F)cc1F
InChIInChI=1S/C9H8F2O2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,1-2H3
InChIKeyJBSGMQGUOCYPQX-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-5-methoxybenzoic acid
CID 117280967
1-(2-bromo-4-fluoro-5-methoxyphenyl)ethanone
CID 131613610
1-[2,4-difluoro-5-(trifluoromethoxy)phenyl]ethanone
CID 171006054
5-acetyl-4-fluoro-2-methoxybenzaldehyde
CID 171009098
5-fluoro-4-methoxy-2-methylbenzoic acid
CID 84769291
methyl 2-fluoro-4,5-dimethoxybenzoate
CID 86155175
cyclopentyl-(2,5-difluoro-4-methoxyphenyl)methanone
CID 82647770
1-(2,5-difluoro-3-methoxyphenyl)ethanone
CID 84660399
1-(2,5,6-trimethoxy-3-pyridinyl)ethanone
CID 71300170
1-(2,5-difluoro-4-methoxyphenyl)-2-methoxyethanone
CID 146010216
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
1-(2-amino-5-fluoro-4-methoxyphenyl)propan-1-one
CID 165444384

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoro-5-methoxyphenyl)ethanone?
The IUPAC name of 1-(2,4-difluoro-5-methoxyphenyl)ethanone (CID 117280345) is 1-(2,4-difluoro-5-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(2,4-difluoro-5-methoxyphenyl)ethanone?
The canonical SMILES for 1-(2,4-difluoro-5-methoxyphenyl)ethanone is COc1cc(C(C)=O)c(F)cc1F.
What is the InChIKey of 1-(2,4-difluoro-5-methoxyphenyl)ethanone?
The InChIKey is JBSGMQGUOCYPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O2/c1-5(12)6-3-9(13-2)8(11)4-7(6)10/h3-4H,1-2H3.
What are the key properties of 1-(2,4-difluoro-5-methoxyphenyl)ethanone?
1-(2,4-difluoro-5-methoxyphenyl)ethanone has a molecular weight of 186.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoro-5-methoxyphenyl)ethanone is sourced from PubChem (CID 117280345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).